Geometry & MOs

Info

ID:	42975
PubChem CID:	10317487
Reduced:	N2O9C15H26 (1)
Stoich.:	A2B9C15D26 (1)
Weight, g/mol:	378.121572
ΔH_f, kcal/mol:	-436.33
Dipole, Da:	3.44
IP(EA), eV:	-9.96(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-N-[[3-[(2-hydroxybenzoyl)amino]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COC(=O)CNC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations